U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15N5O6S2
Molecular Weight 413.429
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2R)-2-(((2Z)-2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYIMINO-ACETYL)AMINO)-2-((2R)-7-OXO-1,2,4,5-TETRAHYDROFURO(3,4-D)(1,3)THIAZIN-2-YL)ACETIC ACID

SMILES

[H][C@]1(NC2=C(COC2=O)CS1)[C@H](NC(=O)C(=N/OC)\C3=CSC(N)=N3)C(O)=O

InChI

InChIKey=PHVYYFCTZOZQCX-KTFFUYHOSA-N
InChI=1S/C14H15N5O6S2/c1-24-19-8(6-4-27-14(15)16-6)10(20)17-9(12(21)22)11-18-7-5(3-26-11)2-25-13(7)23/h4,9,11,18H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,21,22)/b19-8-/t9-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H15N5O6S2
Molecular Weight 413.429
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:14:24 UTC 2023
Edited
by admin
on Sat Dec 16 14:14:24 UTC 2023
Record UNII
6KJV35Q75E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R)-2-(((2Z)-2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYIMINO-ACETYL)AMINO)-2-((2R)-7-OXO-1,2,4,5-TETRAHYDROFURO(3,4-D)(1,3)THIAZIN-2-YL)ACETIC ACID
Systematic Name English
4H-FURO(3,4-D)(1,3)THIAZINE-2-ACETIC ACID, .ALPHA.-(((2-AMINO-4-THIAZOLYL)(METHOXYIMINO)ACETYL)AMINO)-1,2,5,7-TETRAHYDRO-7-OXO-, (R-(R*,R*-(Z)))-
Systematic Name English
DESACETYLCEFOTAXIME LACTONE M2
Common Name English
Code System Code Type Description
FDA UNII
6KJV35Q75E
Created by admin on Sat Dec 16 14:14:24 UTC 2023 , Edited by admin on Sat Dec 16 14:14:24 UTC 2023
PRIMARY
PUBCHEM
14673053
Created by admin on Sat Dec 16 14:14:24 UTC 2023 , Edited by admin on Sat Dec 16 14:14:24 UTC 2023
PRIMARY
CAS
75679-12-8
Created by admin on Sat Dec 16 14:14:24 UTC 2023 , Edited by admin on Sat Dec 16 14:14:24 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE